2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide

C21H26N2O2S — CID 9149582

IUPAC2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESCc1ccc(SCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2S/c1-17-7-9-19(10-8-17)26-16-21(24)22-20(18-5-3-2-4-6-18)15-23-11-13-25-14-12-23/h2-10,20H,11-16H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyFHLQBEVXIHFEEI-HXUWFJFHSA-N
MW370.52 g/mol
LogP3.28
Rot. Bonds7

About 2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide

2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (PubChem CID 9149582) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
PubChem CID9149582
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESCc1ccc(SCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2S/c1-17-7-9-19(10-8-17)26-16-21(24)22-20(18-5-3-2-4-6-18)15-23-11-13-25-14-12-23/h2-10,20H,11-16H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyFHLQBEVXIHFEEI-HXUWFJFHSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149593
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510
3-(2,4-dimethylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide
CID 24649384
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149659
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 9144499
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]propanamide
CID 9150689
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]propanamide
CID 9150677
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-ylacetamide
CID 51925350
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (CID 9149582) is 2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is Cc1ccc(SCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The InChIKey is FHLQBEVXIHFEEI-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-17-7-9-19(10-8-17)26-16-21(24)22-20(18-5-3-2-4-6-18)15-23-11-13-25-14-12-23/h2-10,20H,11-16H2,1H3,(H,22,24)/t20-/m1/s1.
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide has a molecular weight of 370.52 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is sourced from PubChem (CID 9149582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).